SCHEMBL3155647

SCHEMBL3155647

Cc1ccccc1-c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.59
BACE1 P56817 1/20 0.59
GSTP1 P09211 1/20 0.57
TRPA1 O75762 1/20 0.54
HDAC4 P56524 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
LCK P06239 1/20 0.51
KDR P35968 1/20 0.51
JAK3 P52333 1/20 0.51
MAPK14 Q16539 1/20 0.51
ESR2 Q92731 3/20 0.50
ESR1 P03372 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP2A6 P11509 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MCL1 Q07820 1/20 0.47
ALOX5 P09917 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11085362 0.94 CTSD (0.57) CTSDBACE1GSTP1TRPA1HDAC4
SCHEMBL2557207 0.86 GSTP1 (0.52) CTSDBACE1GSTP1TRPA1HDAC4
SCHEMBL14417256 0.84 ESR2 (0.73) CTSDBACE1TRPA1ESR2ESR1
Ammonia Solution, Strong SCHEMBL28921888 0.84 GSTP1 (0.50) CTSDBACE1GSTP1TRPA1HDAC4
SCHEMBL28841094 0.84 CYP11B2 (0.59) CTSDBACE1GSTP1TRPA1SLC6A2
SCHEMBL28508645 0.84 GSTP1 (0.70) GSTP1HDAC4HDAC2HDAC8ESR2
SCHEMBL30491158 0.84 GSTP1 (0.70) GSTP1HDAC4HDAC2HDAC8ESR2
SCHEMBL23380242 0.83 GSTP1 (0.48) CTSDBACE1GSTP1TRPA1HDAC4
SCHEMBL12344996 0.83 CYP2A6 (0.50) CTSDBACE1GSTP1TRPA1HDAC4
SCHEMBL19440078 0.83 CYP11B2 (0.62) CTSDBACE1GSTP1TRPA1CYP2A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070782-A1 METHOD FOR SYNTHESIZING BORONATE ESTER COMPOUND, SODIUM SALT OF BORONATE ESTER COMPOUND, AND METHOD FOR SYNTHESIZING THE SAME KOBELCO ECO-SOLUTIONS CO., LTD. (JP) 2021-03-11 US disclosed
EP-3741764-A1 SYNTHESIS METHOD FOR BORONIC ACID ESTER COMPOUND, AND SODIUM SALT OF BORONIC ACID ESTER COMPOUND AND SYNTHESIS METHOD THEREFOR Kobelco Eco-Solutions Co., Ltd (JP) 2020-11-25 EP disclosed
US-9708351-B2 Alkenes as alkyne equivalents in radical cascades terminated by fragmentations The Florida State University Research Foundation, Inc. (US) 2017-07-18 US disclosed
US-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS The Florida State University Research Foundation, Inc. 2016-12-01 US disclosed
EP-1270614-B1 Copolymers containing propylene and alpha-olefin comonomer BASELL POLYOLEFINE GMBH (DE) 2010-01-27 EP disclosed
US-6924301-B1 Composition for treating or preventing arrhythmia SHIONOGI & CO., LTD. (JP) 2005-08-02 US disclosed
US-6787618-B1 TRANSPARENT, STIFF MOLDING MATERIALS; IMPACT TOUGHNESS; FOOD PACKAGING BASELL POLYPROPYLEN GMBH (DE) 2004-09-07 US disclosed
EP-0776913-B1 High molecular weight copolymers BASELL POLYOLEFINE GMBH (DE) 2004-02-04 EP disclosed
EP-0976748-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-12-03 EP disclosed
EP-1270614-A2 Copolymers containing propylene and alpha-olefin comonomer Basell Polyolefine GmbH (DE) 2003-01-02 EP disclosed
US-6051727-A A POLYMERIZATION CATALYST FOR POLYOLEFINS OF HIGH MOLECULAR WEIGHT, OF PARTICULAR IMPORTANCE FOR THE PRODUCTION OF FILMS, SHEETS OR LARGE HOLLOW ARTICLES OR MOLDINGS SUCH AS PIPES TARGOR GMBH (DE) 2000-04-18 US disclosed
EP-0976748-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2000-02-02 EP disclosed
US-5840644-A OLEFIN POLYMERIZATION CATALYSTS TARGOR GMBH (DE) 1998-11-24 US disclosed
US-5786432-A POLYMERIZING OR COPOLYMERIZING OLEFIN IN PRESENCE OF TRANSITION METAL METALLOCENE CATALYST AND COCATALYST TARGOR GMBH (DE) 1998-07-28 US disclosed
US-5770753-A ADDITION POLYMERIZATION CATALYST TARGOR GMBH (DE) 1998-06-23 US disclosed
EP-0576970-B1 Metallocenes with arylsubstituted indenyl-derivatives as ligands, process for their preparation and their use as catalysts HOECHST AG (DE) 1998-01-14 EP disclosed
EP-0790076-A2 Catalysts containing metallocenes with arylsubstituted indenyl derivatives as ligands, process and intermediates for the preparation of these metallocenes and their use HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-20 EP disclosed
EP-0776913-A2 High molecular weight copolymers HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-04 EP disclosed
EP-0576970-A1 Metallocenes with arylsubstituted indenyl-derivatives as ligands, process for their preparation and their use as catalysts HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-05 EP disclosed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210070782-A1 METHOD FOR SYNTHESIZING BORONATE ESTER COMPOUND, SODIUM SALT OF BORONATE ESTER COMPOUND, AND METHOD FOR SYNTHESIZING THE SAME BRSK1, BRSK2, BRI3BP CTSD 3606/4885BACE1 4119/4885GSTP1 4708/4885
US-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS AOC3, OR51E2, AOC2 CTSD 2899/4885BACE1 445/4885GSTP1 1292/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.